SCHEMBL9709418

SCHEMBL9709418

O=C1C=C(CCCCCCCCCCCCCCCO)C(=O)c2ccccc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 3/20 0.54
S100A4 P26447 1/20 0.47
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
NSD2 O96028 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
PKM P14618 3/20 0.43
PARK7 Q99497 1/20 0.42
PLIN1 O60240 1/20 0.42
NR1I2 O75469 1/20 0.42
USP2 O75604 1/20 0.42
ALDH1A1 P00352 1/20 0.42
GSR P00390 1/20 0.42
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
GAA P10253 1/20 0.42
CYP2D6 P10635 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL13649360 0.93 S100A4 (0.50) PTPN1S100A4MEN1KMT2ANSD2
SCHEMBL30252636 0.91 PTPN1 (0.62) PTPN1S100A4MEN1KMT2ANSD2
SCHEMBL128020 0.86 S100A4 (0.53) PTPN1S100A4MEN1KMT2ANSD2
SCHEMBL30673380 0.86 S100A4 (0.53) PTPN1S100A4MEN1KMT2ANSD2
SCHEMBL9572009 0.83 PTPN1 (0.77) PTPN1S100A4MEN1KMT2ANSD2
SCHEMBL14764741 0.83 PTPN1 (0.54) PTPN1S100A4MEN1KMT2ANSD2
SCHEMBL14307222 0.83 PTPN1 (0.77) PTPN1S100A4MEN1KMT2ANSD2
SCHEMBL9628184 0.83 PTPN1 (0.77) PTPN1S100A4MEN1KMT2ANSD2
SCHEMBL10353657 0.83 PTPN1 (0.77) PTPN1S100A4MEN1KMT2ANSD2
SCHEMBL10786305 0.83 PTPN1 (0.77) PTPN1S100A4MEN1KMT2ANSD2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1992007814-A1 NOVEL W-(1,4-QUINONYL)-ALKANALS, PROCESS FOR MAKING THEM AND USES Gesellschaft für Biotechnologische Forschung mbH (DE) 1992-05-14 WO disclosed